(Q77571816)

English

Epothilone C8

bioactive natural product

In more languages

Statements

group of stereoisomers

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thiazole alkaloid

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463.239244284 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₇NO₅S

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canonical SMILES

O=C1OC(C=CC=2N=C(SC2)C)CC=CCCCC(C)C(O)C(C(=O)C(C)(C)C(O)C1)C

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isomeric SMILES

Cc1nc(/C=C/[C@@H]2C/C=C\CCCC(C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O2)cs1

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Sorangium cellulosum

1 reference

New natural epothilones from Sorangium cellulosum, strains So ce90/B2 and So ce90/D13: isolation, structure elucidation, and SAR studies

Identifiers

InChI=1S/C25H37NO5S/c1-16-10-8-6-7-9-11-20(13-12-19-15-32-18(3)26-19)31-22(28)14-21(27)25(4,5)24(30)17(2)23(16)29/h7,9,12-13,15-17,20-21,23,27,29H,6,8,10-11,14H2,1-5H3/b9-7-,13-12+/t16?,17-,20+,21+,23+/m1/s1

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SZLNOQJINZWMEH-LDULZZTDSA-N

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language of work or name

Natural Product Atlas

language of work or name

2 references

language of work or name

matched by identifier from

SZLNOQJINZWMEH-LDULZZTDSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C25H37NO5S/c1-16-10-8-6-7-9-11-20(13-12-19-15-32-18(3)26-19)31-22(28)14-21(27)25(4,5)24(30)17(2)23(16)29/h7,9,12-13,15-17,20-21,23,27,29H,6,8,10-11,14H2,1-5H3/b9-7-,13-12+/t16?,17-,20+,21+,23+/m1/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

SZLNOQJINZWMEH-LDULZZTDSA-N

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